1,3-diethyl-8-[6-[(1-pyridin-3-ylcarbonylcyclopropyl)amino]pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione

Systemtic Name: 1,3-diethyl-8-[6-[(1-pyridin-3-ylcarbonylcyclopropyl)amino]pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 1,3-diethyl-8-[6-[[1-(pyridine-3-carbonyl)cyclopropyl]amino]-3-pyridyl]-5,7-dihydro-4H-purine-2,6-dione CAS Name: 1,3-diethyl-8-[6-[[1-[oxo(3-pyridinyl)methyl]cyclopropyl]amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 1,3-diethyl-8-[6-[[1-(pyridine-3-carbonyl)cyclopropyl]amino]pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 1,3-diethyl-8-[6-[(1-nicotinoylcyclopropyl)amino]-3-pyridyl]-5,7-dihydro-4H-purine-2,6-quinone Formula: C23H25N7O3 MolecularWeight: 447.4897

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2C(C(=O)N(C1=O)CC)NC(=N2)C3=CN=C(C=C3)NC4(CC4)C(=O)C5=CN=CC=C5

Isomeric SMILES

CCN1C2C(C(=O)N(C1=O)CC)NC(=N2)C3=CN=C(C=C3)NC4(CC4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C23H25N7O3/c1-3-29-20-17(21(32)30(4-2)22(29)33)26-19(27-20)15-7-8-16(25-13-15)28-23(9-10-23)18(31)14-6-5-11-24-12-14/h5-8,11-13,17,20H,3-4,9-10H2,1-2H3,(H,25,28)(H,26,27)